ChemSpider 2D Image | Ethyl 1-{[2-(methoxycarbonyl)-3-thienyl]carbamothioyl}-3-piperidinecarboxylate | C15H20N2O4S2

Ethyl 1-{[2-(methoxycarbonyl)-3-thienyl]carbamothioyl}-3-piperidinecarboxylate

  • Molecular FormulaC15H20N2O4S2
  • Average mass356.460 Da
  • Monoisotopic mass356.086456 Da
  • ChemSpider ID22495154

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{[2-(Méthoxycarbonyl)-3-thiényl]carbamothioyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[[2-(methoxycarbonyl)-3-thienyl]amino]thioxomethyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[2-(methoxycarbonyl)-3-thienyl]carbamothioyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[2-(methoxycarbonyl)-3-thienyl]carbamothioyl}-3-piperidincarboxylat [German] [ACD/IUPAC Name]
1-(2-Methoxycarbonyl-thiophen-3-ylthiocarbamoyl)-piperidine-3-carboxylic acid ethyl ester
ethyl 1-{[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}piperidine-3-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 469.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.7±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.45
ACD/KOC (pH 5.5): 1235.39
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.45
ACD/KOC (pH 7.4): 1235.38
Polar Surface Area: 128 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 265.5±3.0 cm3

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